Glycoside
GD136418
Name:
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 2-methylbutanoateFormula:
C17H24O8Smiles:
CCC(C)C(=O)OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CCC(C)C(=O)OC.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.37 | Num_heavy_atoms: | 25 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
